BDBM50305730 6-(2,4-difluorophenethyl)-3-isopropyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine::CHEMBL610487

SMILES: CC(C)c1nnc2CCC(CCc3ccc(F)cc3F)=Cn12

InChI Key: InChIKey=DKNATPKDAFNEFY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305730   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50305730 (6-(2,4-difluorophenethyl)-3-isopropyl-1,8a-dihydro...) Show SMILES CC(C)c1nnc2CCC(CCc3ccc(F)cc3F)=Cn12 |c:20| Show InChI InChI=1S/C17H19F2N3/c1-11(2)17-21-20-16-8-4-12(10-22(16)17)3-5-13-6-7-14(18)9-15(13)19/h6-7,9-11H,3-5,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of p38 alpha				Bioorg Med Chem Lett 20: 469-73 (2010) Article DOI: 10.1016/j.bmcl.2009.11.114 BindingDB Entry DOI: 10.7270/Q2G160XP
					More data for this Ligand-Target Pair